Structure Database (LMSD)
Common Name
1,5-Hexanediol
Systematic Name
hexane-1,5-diol
Synonyms
3D model of 1,5-Hexanediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
UNVGBIALRHLALK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3
SMILES (Click to copy)
C(C(O)C)CCCO
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
129.94
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
1.10
Molar Refractivity
33.62
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Created at
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Updated at
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